#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wc5 s ARG 1005N 0.00 4.33 -0.39 2.12 3.00 -1.26 -0.16 118.95 126.59 1wc5 s ARG 1005Ca 0.00 2.18 -0.41 0.00 -1.00 0.00 0.00 55.73 56.49 1wc5 s ARG 1005Cb 0.00 -3.15 -0.16 0.00 0.00 0.00 0.00 34.95 31.63 1wc5 s ARG 1005CO 0.00 -0.33 1.90 -2.30 0.00 0.00 0.00 175.30 174.57 1wc5 n PRO 1006N 2.46 0.63 -4.00 5.12 -0.02 -1.26 -4.78 135.00 133.16 1wc5 n PRO 1006Ca 0.06 0.21 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 1wc5 n PRO 1006Cb 0.41 -1.91 -0.11 0.00 -0.02 0.00 0.00 33.50 31.87 1wc5 n PRO 1006CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1wc5 s GLU 1007N 4.57 0.36 -0.02 -0.52 -1.05 -0.97 -4.91 118.70 116.16 1wc5 s GLU 1007Ca 1.07 -0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 54.93 1wc5 s GLU 1007Cb -1.22 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 32.45 1wc5 s GLU 1007CO 0.66 -0.03 1.59 -2.14 0.95 0.00 0.00 175.26 176.28 1wc5 s PRO 1008N -1.58 4.21 -0.05 -4.83 0.02 -1.26 -1.22 135.00 130.28 1wc5 s PRO 1008Ca -0.14 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 62.99 1wc5 s PRO 1008Cb -0.09 -3.81 0.02 0.00 0.02 0.00 0.00 34.50 30.64 1wc5 s PRO 1008CO -0.01 -0.76 0.13 0.50 -0.33 0.00 0.00 177.00 176.53 1wc5 s ARG 1009N 3.38 0.14 -0.31 5.54 6.06 -0.50 -4.95 118.95 128.31 1wc5 s ARG 1009Ca 0.71 0.23 -0.29 0.00 -2.50 0.00 0.00 55.73 53.87 1wc5 s ARG 1009Cb -0.34 0.01 0.01 0.00 0.06 0.00 0.00 34.95 34.69 1wc5 s ARG 1009CO 0.29 -0.05 1.22 -1.17 -2.50 0.00 0.00 175.30 173.09 1wc5 s LEU 1010N 0.33 3.89 0.33 -0.88 2.96 -1.26 -2.21 118.68 121.83 1wc5 s LEU 1010Ca -0.02 1.12 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 1wc5 s LEU 1010Cb -0.03 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1wc5 s LEU 1010CO -0.01 -1.03 0.16 0.27 -1.32 0.00 0.00 176.35 174.42 1wc5 s ILE 1011N 4.15 0.38 -0.11 6.68 -4.36 -0.70 -4.85 121.20 122.40 1wc5 s ILE 1011Ca 0.53 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 1wc5 s ILE 1011Cb -0.15 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.10 1wc5 s ILE 1011CO 0.21 0.00 -0.12 -0.89 0.24 0.00 0.00 174.94 174.38 1wc5 s THR 1012N -3.49 1.30 -0.15 8.37 2.01 -0.64 -0.83 115.64 122.22 1wc5 s THR 1012Ca 0.34 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.80 1wc5 s THR 1012Cb 0.04 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 1wc5 s THR 1012CO 0.18 0.41 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.88 1wc5 s ILE 1013N 1.31 4.17 -0.10 1.82 1.09 0.17 -1.51 121.20 128.14 1wc5 s ILE 1013Ca -0.01 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.31 1wc5 s ILE 1013Cb -0.14 -2.83 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 1wc5 s ILE 1013CO -0.05 0.50 -0.22 -0.22 -0.10 0.00 0.00 174.94 174.84 1wc5 s LEU 1014N 0.22 2.04 -0.07 2.97 0.20 -0.66 -2.03 118.68 121.35 1wc5 s LEU 1014Ca -0.00 -0.54 0.06 0.00 0.69 0.00 0.00 54.13 54.33 1wc5 s LEU 1014Cb -0.13 -1.35 -0.01 0.00 -0.43 0.00 0.00 46.19 44.26 1wc5 s LEU 1014CO 0.02 0.13 -0.24 -0.36 -0.29 0.00 0.00 176.35 175.61 1wc5 s PHE 1015N 0.47 2.42 -0.02 5.38 0.40 -0.58 -0.58 117.98 125.48 1wc5 s PHE 1015Ca -0.16 -0.79 0.02 0.00 -0.60 0.00 0.00 56.93 55.40 1wc5 s PHE 1015Cb -0.17 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1wc5 s PHE 1015CO 0.06 -0.26 -0.06 -1.54 0.70 0.00 0.00 175.22 174.12 1wc5 s SER 1016N -0.03 0.84 -0.01 1.36 1.04 -0.91 -0.41 113.70 115.58 1wc5 s SER 1016Ca -0.07 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 1wc5 s SER 1016Cb -0.15 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1wc5 s SER 1016CO 0.05 0.05 0.09 -0.62 0.98 0.00 0.00 173.24 173.79 1wc5 s ASP 1017N 0.12 0.00 0.10 7.02 2.15 -0.07 -0.81 116.67 125.17 1wc5 s ASP 1017Ca -0.01 -0.06 -0.30 0.00 0.43 0.00 0.00 52.55 52.60 1wc5 s ASP 1017Cb -0.06 0.19 -0.06 0.00 -0.30 0.00 0.00 42.92 42.70 1wc5 s ASP 1017CO -0.00 -0.20 1.09 -0.63 -0.17 0.00 0.00 175.17 175.26 1wc5 s ILE 1018N -0.72 4.21 -0.04 4.11 1.01 -1.26 -0.52 121.20 127.99 1wc5 s ILE 1018Ca -0.08 1.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.99 1wc5 s ILE 1018Cb -0.05 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 1wc5 s ILE 1018CO 0.00 0.21 1.23 0.54 0.00 0.00 0.00 174.94 176.92 1wc5 s VAL 1019N 0.46 4.17 -1.37 2.92 0.11 0.25 -3.91 120.40 123.03 1wc5 s VAL 1019Ca 0.53 1.51 -0.02 0.00 -2.93 0.00 0.00 61.98 61.06 1wc5 s VAL 1019Cb -0.27 -3.97 -0.00 0.00 -1.53 0.00 0.00 36.38 30.61 1wc5 s VAL 1019CO 0.31 0.00 0.48 0.61 -3.33 0.00 0.00 175.10 173.17 1wc5 n GLY 1020N 3.39 -0.29 0.18 6.54 0.00 -1.26 -4.67 105.19 109.08 1wc5 n GLY 1020Ca 0.11 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1wc5 n GLY 1020CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wc5 h PHE 1021N -1.85 0.64 0.00 1.61 3.57 -1.96 -3.13 116.94 115.82 1wc5 h PHE 1021Ca -0.63 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 60.70 1wc5 h PHE 1021Cb 1.37 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1wc5 h PHE 1021CO 0.47 0.79 -0.08 1.15 -2.23 0.00 0.00 178.31 178.41 1wc5 h THR 1022N 0.31 0.81 0.00 4.41 2.02 -1.92 -2.28 112.91 116.26 1wc5 h THR 1022Ca 0.07 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1wc5 h THR 1022Cb 0.60 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1wc5 h THR 1022CO 0.03 0.07 -0.11 -0.09 0.37 0.00 0.00 175.52 175.80 1wc5 h ARG 1023N 0.00 0.00 -0.41 6.66 9.65 -1.93 -2.73 114.38 125.61 1wc5 h ARG 1023Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1wc5 h ARG 1023Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 1wc5 h ARG 1023CO 0.01 0.11 0.00 0.00 2.80 0.00 0.00 179.97 182.89 1wc5 n MET 1024N -3.52 2.42 -0.14 0.20 0.00 -0.86 -4.65 117.12 110.57 1wc5 n MET 1024Ca -0.01 -2.19 -0.09 0.00 0.00 0.00 0.00 57.70 55.41 1wc5 n MET 1024Cb 0.25 -1.43 -0.00 0.00 0.00 0.00 0.00 33.22 32.03 1wc5 n MET 1024CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1wc5 h SER 1025N 3.59 0.53 -0.68 3.17 4.64 -1.51 -1.63 113.55 121.65 1wc5 h SER 1025Ca 0.00 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.14 1wc5 h SER 1025Cb 0.87 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 1wc5 h SER 1025CO 0.00 0.49 0.14 -1.13 -0.87 0.00 0.00 176.83 175.46 1wc5 h ASN 1026N 0.53 1.06 0.20 4.97 -0.73 -1.82 -0.25 115.58 119.53 1wc5 h ASN 1026Ca 0.14 -0.25 -0.17 0.00 1.87 0.00 0.00 56.30 57.89 1wc5 h ASN 1026Cb 0.09 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 1wc5 h ASN 1026CO -0.02 1.03 -0.66 0.00 -0.37 0.00 0.00 177.43 177.41 1wc5 h ALA 1027N 1.06 0.65 -0.02 1.57 0.00 -1.87 -3.23 119.26 117.42 1wc5 h ALA 1027Ca 0.21 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1wc5 h ALA 1027Cb 0.40 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1wc5 h ALA 1027CO 0.01 0.73 -0.80 -0.07 0.00 0.00 0.00 179.25 179.12 1wc5 h LEU 1028N 0.31 0.26 -0.40 0.00 3.38 -1.14 -3.50 115.31 114.23 1wc5 h LEU 1028Ca -0.02 -0.19 0.23 0.00 0.09 0.00 0.00 57.88 57.98 1wc5 h LEU 1028Cb 1.22 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 1wc5 h LEU 1028CO 0.12 0.95 -0.84 0.00 0.09 0.00 0.00 178.44 178.76 1wc5 n GLN 1029N -3.72 -2.19 -0.29 1.13 1.13 -0.12 -1.83 117.38 111.49 1wc5 n GLN 1029Ca -0.03 1.80 0.12 0.00 -1.94 0.00 0.00 57.00 56.94 1wc5 n GLN 1029Cb 0.75 -2.55 0.28 0.00 0.11 0.00 0.00 30.24 28.82 1wc5 n GLN 1029CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1wc5 h SER 1030N -0.92 0.14 -0.69 1.08 4.64 -1.93 0.30 113.55 116.17 1wc5 h SER 1030Ca -0.13 0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1wc5 h SER 1030Cb 0.90 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 1wc5 h SER 1030CO 0.05 -0.07 0.25 1.56 -0.87 0.00 0.00 176.83 177.75 1wc5 h GLN 1031N 0.30 1.04 -0.16 4.77 7.50 -1.98 -2.09 115.11 124.49 1wc5 h GLN 1031Ca 0.53 -0.20 -0.01 0.00 0.50 0.00 0.00 58.65 59.47 1wc5 h GLN 1031Cb 1.02 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 28.38 1wc5 h GLN 1031CO -0.58 0.88 0.06 0.78 -1.50 0.00 0.00 178.83 178.47 1wc5 h GLY 1032N 0.98 0.26 0.60 3.46 0.00 -0.21 -2.57 103.07 105.60 1wc5 h GLY 1032Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.42 1wc5 h GLY 1032CO -0.01 0.14 -0.23 -2.08 0.00 0.00 0.00 176.54 174.36 1wc5 h VAL 1033N 0.09 0.49 -0.71 4.60 2.07 -1.10 -0.56 116.25 121.13 1wc5 h VAL 1033Ca 0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1wc5 h VAL 1033Cb 0.21 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1wc5 h VAL 1033CO -0.00 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.99 1wc5 h ALA 1034N 0.35 0.96 0.27 1.67 0.00 -1.39 0.93 119.26 122.05 1wc5 h ALA 1034Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1wc5 h ALA 1034Cb 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wc5 h ALA 1034CO -0.13 0.08 -0.13 1.49 0.00 0.00 0.00 179.25 180.56 1wc5 h GLU 1035N 0.73 -0.35 0.12 0.00 4.81 -1.25 -1.41 114.58 117.23 1wc5 h GLU 1035Ca 0.32 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 1wc5 h GLU 1035Cb 0.20 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1wc5 h GLU 1035CO -0.19 -0.04 -0.06 1.25 -0.73 0.00 0.00 179.01 179.25 1wc5 h LEU 1036N -0.70 -0.13 -0.82 1.64 6.46 -1.00 -1.36 115.31 119.40 1wc5 h LEU 1036Ca -0.04 -0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1wc5 h LEU 1036Cb 0.48 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1wc5 h LEU 1036CO 0.06 -0.01 0.52 0.25 -0.62 0.00 0.00 178.44 178.65 1wc5 h LEU 1037N -0.25 0.87 -0.59 2.25 6.46 -0.90 -1.30 115.31 121.85 1wc5 h LEU 1037Ca -0.02 -0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1wc5 h LEU 1037Cb 0.20 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.93 1wc5 h LEU 1037CO 0.03 0.60 -0.18 0.78 -0.62 0.00 0.00 178.44 179.04 1wc5 h ASN 1038N 1.02 0.95 -0.06 1.25 2.35 -1.08 -1.38 115.58 118.63 1wc5 h ASN 1038Ca 0.33 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1wc5 h ASN 1038Cb 0.01 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1wc5 h ASN 1038CO -0.12 1.11 0.00 -0.33 -1.65 0.00 0.00 177.43 176.44 1wc5 h GLU 1039N 0.82 0.11 -0.08 0.81 5.08 -1.01 -2.13 114.58 118.18 1wc5 h GLU 1039Ca 0.12 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1wc5 h GLU 1039Cb 0.74 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1wc5 h GLU 1039CO 0.06 0.37 -0.53 -0.92 -1.00 0.00 0.00 179.01 176.99 1wc5 h TYR 1040N -0.17 -1.55 -0.97 4.33 3.20 -1.18 -1.34 116.97 119.29 1wc5 h TYR 1040Ca 0.02 0.06 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1wc5 h TYR 1040Cb 0.32 0.69 -0.07 0.00 1.54 0.00 0.00 36.73 39.21 1wc5 h TYR 1040CO 0.03 -0.55 0.63 -0.07 -1.64 0.00 0.00 178.16 176.55 1wc5 h LEU 1041N -0.61 0.96 -0.37 2.82 3.38 -1.28 0.25 115.31 120.47 1wc5 h LEU 1041Ca 0.03 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wc5 h LEU 1041Cb 0.69 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1wc5 h LEU 1041CO -0.40 0.59 0.22 1.23 0.09 0.00 0.00 178.44 180.17 1wc5 h GLY 1042N 1.07 0.52 1.13 0.83 0.00 -0.67 0.85 103.07 106.80 1wc5 h GLY 1042Ca 0.44 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1wc5 h GLY 1042CO -0.19 0.15 -0.26 0.83 0.00 0.00 0.00 176.54 177.07 1wc5 h GLU 1043N 0.45 0.98 -0.30 4.80 4.39 -0.42 -2.49 114.58 121.99 1wc5 h GLU 1043Ca 0.15 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 1wc5 h GLU 1043Cb -0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1wc5 h GLU 1043CO -0.06 1.11 -0.14 0.52 -1.16 0.00 0.00 179.01 179.28 1wc5 h MET 1044N 0.83 0.62 0.00 2.33 2.86 -0.73 -1.91 114.93 118.92 1wc5 h MET 1044Ca 0.10 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1wc5 h MET 1044Cb 0.85 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.48 1wc5 h MET 1044CO 0.07 0.84 -0.06 1.79 1.06 0.00 0.00 176.91 180.62 1wc5 h THR 1045N 0.37 0.59 -0.37 2.22 1.35 -0.84 -1.15 112.91 115.08 1wc5 h THR 1045Ca 0.07 -0.24 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 1wc5 h THR 1045Cb 0.65 1.15 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 1wc5 h THR 1045CO 0.04 0.06 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.07 1wc5 h ARG 1046N 0.00 0.80 -0.88 4.72 2.43 -0.91 -0.82 114.38 119.72 1wc5 h ARG 1046Ca -0.00 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1wc5 h ARG 1046Cb 0.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1wc5 h ARG 1046CO 0.01 0.99 0.47 0.00 -1.51 0.00 0.00 179.97 179.93 1wc5 h ALA 1047N 0.79 1.13 0.29 2.80 0.00 -0.48 -1.03 119.26 122.76 1wc5 h ALA 1047Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wc5 h ALA 1047Cb 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wc5 h ALA 1047CO 0.06 0.65 -0.14 0.28 0.00 0.00 0.00 179.25 180.10 1wc5 h VAL 1048N 1.23 0.74 -0.95 0.00 2.07 -1.22 -3.05 116.25 115.07 1wc5 h VAL 1048Ca 0.31 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1wc5 h VAL 1048Cb 0.05 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1wc5 h VAL 1048CO -0.05 0.11 0.60 0.15 0.02 0.00 0.00 177.57 178.40 1wc5 h PHE 1049N -0.69 1.11 0.00 1.57 3.57 -1.06 -0.70 116.94 120.73 1wc5 h PHE 1049Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1wc5 h PHE 1049Cb 0.48 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1wc5 h PHE 1049CO 0.02 0.53 0.00 0.39 -2.23 0.00 0.00 178.31 177.02 1wc5 n GLU 1050N -4.58 0.04 -0.32 1.11 1.02 -0.40 -2.42 120.64 115.10 1wc5 n GLU 1050Ca 0.15 0.21 0.08 0.00 -0.02 0.00 0.00 57.16 57.58 1wc5 n GLU 1050Cb 0.23 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.33 1wc5 n GLU 1050CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wc5 n ASN 1051N -1.46 2.61 -2.60 1.62 3.02 -0.39 -4.97 115.26 113.09 1wc5 n ASN 1051Ca 0.05 -3.28 -0.20 0.00 -0.03 0.00 0.00 54.58 51.12 1wc5 n ASN 1051Cb 0.17 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 1wc5 n ASN 1051CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wc5 n GLN 1052N -1.14 -3.69 -4.05 3.52 1.13 -1.02 -4.82 117.38 107.31 1wc5 n GLN 1052Ca 0.20 0.86 -0.22 0.00 -1.94 0.00 0.00 57.00 55.90 1wc5 n GLN 1052Cb 0.75 -5.52 -0.03 0.00 0.11 0.00 0.00 30.24 25.55 1wc5 n GLN 1052CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1wc5 s GLY 1053N -2.57 1.34 -0.18 1.08 0.00 -0.48 -4.86 107.32 101.65 1wc5 s GLY 1053Ca 0.20 -1.33 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 1wc5 s GLY 1053CO 0.25 -1.36 0.05 -1.59 0.00 0.00 0.00 173.10 170.46 1wc5 s THR 1054N -2.05 4.71 -0.72 0.90 2.01 0.02 -4.26 115.64 116.26 1wc5 s THR 1054Ca 0.33 -0.06 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 1wc5 s THR 1054Cb -0.08 -3.12 0.07 0.00 0.01 0.00 0.00 72.50 69.38 1wc5 s THR 1054CO 0.27 0.47 1.05 -0.69 -0.69 0.00 0.00 174.62 175.03 1wc5 s VAL 1055N 0.31 4.26 0.05 3.82 1.01 -1.26 -0.06 120.40 128.53 1wc5 s VAL 1055Ca 0.03 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.28 1wc5 s VAL 1055Cb -0.12 -4.75 -0.18 0.00 0.00 0.00 0.00 36.38 31.33 1wc5 s VAL 1055CO 0.00 -1.54 1.48 -0.78 0.00 0.00 0.00 175.10 174.26 1wc5 h ASP 1056N 9.56 -0.99 -5.52 3.32 1.82 -1.37 -3.49 116.42 119.76 1wc5 h ASP 1056Ca -0.22 0.04 0.22 0.00 -0.39 0.00 0.00 57.03 56.68 1wc5 h ASP 1056Cb 1.06 0.26 -0.06 0.00 0.68 0.00 0.00 39.33 41.27 1wc5 h ASP 1056CO 1.20 -0.70 0.65 -1.59 -1.61 0.00 0.00 179.24 177.19 1wc5 s LYS 1057N -5.54 1.01 -0.04 0.28 -2.85 -1.17 -4.94 119.74 106.49 1wc5 s LYS 1057Ca -0.17 -0.63 0.04 0.00 -1.00 0.00 0.00 55.97 54.21 1wc5 s LYS 1057Cb 0.02 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1wc5 s LYS 1057CO 0.51 -0.47 -0.14 -0.06 0.10 0.00 0.00 175.35 175.29 1wc5 s PHE 1058N -2.40 2.72 -0.54 1.78 2.99 -1.26 -1.65 117.98 119.62 1wc5 s PHE 1058Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 56.93 57.03 1wc5 s PHE 1058Cb -0.01 -1.62 0.16 0.00 0.00 0.00 0.00 43.02 41.55 1wc5 s PHE 1058CO 0.02 0.21 0.38 0.08 -0.00 0.00 0.00 175.22 175.92 1wc5 s VAL 1059N -0.77 1.61 0.00 -0.44 1.01 -0.21 -4.99 120.40 116.61 1wc5 s VAL 1059Ca 0.12 -3.28 0.00 0.00 0.00 0.00 0.00 61.98 58.82 1wc5 s VAL 1059Cb -0.11 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1wc5 s VAL 1059CO 0.01 -1.06 0.00 0.61 0.00 0.00 0.00 175.10 174.66 1wc5 n GLY 1060N 2.66 2.67 0.26 4.51 0.00 -1.26 -1.88 105.19 112.15 1wc5 n GLY 1060Ca 0.21 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1wc5 n GLY 1060CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wc5 n ASP 1061N 9.29 1.07 -4.89 1.61 5.75 -1.26 -4.93 116.55 123.19 1wc5 n ASP 1061Ca 0.00 -0.93 -0.29 0.00 -0.01 0.00 0.00 54.79 53.56 1wc5 n ASP 1061Cb 0.00 0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1wc5 n ASP 1061CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wc5 s ALA 1062N -2.48 3.52 0.11 2.12 0.00 -0.79 -4.04 121.76 120.20 1wc5 s ALA 1062Ca 0.25 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.87 1wc5 s ALA 1062Cb 0.19 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1wc5 s ALA 1062CO 0.51 0.13 -0.25 0.42 0.00 0.00 0.00 175.76 176.58 1wc5 s ILE 1063N -2.21 2.05 -0.09 0.00 1.01 0.01 -1.05 121.20 120.92 1wc5 s ILE 1063Ca 0.47 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1wc5 s ILE 1063Cb -0.11 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1wc5 s ILE 1063CO 0.31 0.08 -0.09 -0.32 0.00 0.00 0.00 174.94 174.91 1wc5 s MET 1064N -1.89 1.54 0.17 2.79 -2.45 -0.66 -2.13 119.30 116.68 1wc5 s MET 1064Ca 0.11 -0.30 0.09 0.00 -1.25 0.00 0.00 55.69 54.34 1wc5 s MET 1064Cb -0.10 -1.47 -0.04 0.00 1.25 0.00 0.00 34.83 34.47 1wc5 s MET 1064CO 0.05 -0.15 -0.19 0.00 1.05 0.00 0.00 175.02 175.77 1wc5 s ALA 1065N 1.29 2.13 0.03 4.11 0.00 0.25 -0.94 121.76 128.63 1wc5 s ALA 1065Ca -0.03 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.46 1wc5 s ALA 1065Cb -0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1wc5 s ALA 1065CO -0.03 0.27 -0.17 -0.51 0.00 0.00 0.00 175.76 175.31 1wc5 s LEU 1066N -2.70 2.13 -0.10 0.00 1.43 0.91 -1.66 118.68 118.70 1wc5 s LEU 1066Ca 0.17 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1wc5 s LEU 1066Cb -0.06 -0.81 0.02 0.00 0.03 0.00 0.00 46.19 45.37 1wc5 s LEU 1066CO 0.07 0.13 -0.07 -0.31 0.23 0.00 0.00 176.35 176.40 1wc5 s TYR 1067N -0.70 1.34 0.00 0.29 1.51 -0.57 -0.80 117.35 118.42 1wc5 s TYR 1067Ca 0.05 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 1wc5 s TYR 1067Cb -0.08 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1wc5 s TYR 1067CO 0.01 -0.45 0.00 0.41 -1.11 0.00 0.00 175.55 174.41 1wc5 n GLY 1068N 4.80 1.24 3.64 0.71 0.00 -1.26 -1.61 105.19 112.70 1wc5 n GLY 1068Ca -0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1wc5 n GLY 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wc5 s ALA 1069N -2.00 -2.00 0.20 4.61 0.00 -1.26 -4.55 121.76 116.75 1wc5 s ALA 1069Ca 0.00 1.89 0.16 0.00 0.00 0.00 0.00 51.96 54.02 1wc5 s ALA 1069Cb 0.00 -1.47 0.59 0.00 0.00 0.00 0.00 23.12 22.24 1wc5 s ALA 1069CO 0.00 -0.24 1.70 -1.00 0.00 0.00 0.00 175.76 176.22 1wc5 h PRO 1070N 4.29 0.00 -7.15 0.00 0.13 -1.98 -3.41 132.00 123.87 1wc5 h PRO 1070Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 1wc5 h PRO 1070Cb 1.18 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.39 1wc5 h PRO 1070CO 0.11 0.44 0.40 -1.21 -0.23 0.00 0.00 178.00 177.51 1wc5 s GLU 1071N -3.61 3.10 0.06 0.86 0.41 -1.26 -4.99 118.70 113.27 1wc5 s GLU 1071Ca -0.00 1.46 -0.31 0.00 -0.41 0.00 0.00 54.97 55.71 1wc5 s GLU 1071Cb 0.11 -1.99 -0.07 0.00 -1.78 0.00 0.00 34.13 30.41 1wc5 s GLU 1071CO 0.71 -1.02 1.38 -2.00 -0.49 0.00 0.00 175.26 173.84 1wc5 s GLU 1072N -3.75 4.31 -0.10 1.61 2.56 -1.26 -4.17 118.70 117.90 1wc5 s GLU 1072Ca 0.69 2.01 -0.05 0.00 0.00 0.00 0.00 54.97 57.61 1wc5 s GLU 1072Cb -0.21 -3.40 0.05 0.00 2.00 0.00 0.00 34.13 32.56 1wc5 s GLU 1072CO 0.35 -0.48 0.24 1.41 -0.56 0.00 0.00 175.26 176.22 1wc5 s MET 1073N 1.68 0.20 0.63 4.30 1.75 -1.26 -4.94 119.30 121.66 1wc5 s MET 1073Ca 0.64 0.53 -0.16 0.00 -1.25 0.00 0.00 55.69 55.45 1wc5 s MET 1073Cb -0.34 -0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.20 1wc5 s MET 1073CO 0.29 -0.16 1.10 -1.54 -0.65 0.00 0.00 175.02 174.06 1wc5 s SER 1074N 1.26 5.30 0.34 1.11 1.04 -1.26 -4.78 113.70 116.70 1wc5 s SER 1074Ca -0.09 1.98 0.13 0.00 0.48 0.00 0.00 55.95 58.45 1wc5 s SER 1074Cb -0.10 -2.55 0.98 0.00 0.10 0.00 0.00 66.02 64.45 1wc5 s SER 1074CO -0.08 -1.50 1.73 -0.65 0.98 0.00 0.00 173.24 173.71 1wc5 h PRO 1075N 0.22 0.47 -0.09 4.02 0.11 -1.99 -1.90 132.00 132.85 1wc5 h PRO 1075Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1wc5 h PRO 1075Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wc5 h PRO 1075CO 0.55 0.31 -0.30 0.66 -0.21 0.00 0.00 178.00 179.01 1wc5 h SER 1076N 0.49 0.42 -0.64 -2.05 4.64 -2.00 -3.12 113.55 111.28 1wc5 h SER 1076Ca 0.65 -0.62 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1wc5 h SER 1076Cb 1.40 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1wc5 h SER 1076CO -0.45 0.97 0.42 -0.33 -0.87 0.00 0.00 176.83 176.57 1wc5 h GLU 1077N -0.11 0.72 0.25 4.77 4.39 -1.76 0.16 114.58 123.00 1wc5 h GLU 1077Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1wc5 h GLU 1077Cb 0.94 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1wc5 h GLU 1077CO 0.06 0.48 -0.25 1.96 -1.16 0.00 0.00 179.01 180.10 1wc5 h GLN 1078N 0.75 -0.49 -0.41 2.33 4.20 -1.38 0.99 115.11 121.10 1wc5 h GLN 1078Ca 0.26 0.03 0.08 0.00 0.06 0.00 0.00 58.65 59.08 1wc5 h GLN 1078Cb 0.09 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 1wc5 h GLN 1078CO -0.07 -0.33 -0.09 0.28 -0.67 0.00 0.00 178.83 177.95 1wc5 h VAL 1079N -0.51 0.60 -0.43 -0.54 2.07 -1.44 0.34 116.25 116.34 1wc5 h VAL 1079Ca -0.03 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.56 1wc5 h VAL 1079Cb 0.44 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 30.70 1wc5 h VAL 1079CO -0.03 0.00 -0.43 -0.09 0.02 0.00 0.00 177.57 177.04 1wc5 h ARG 1080N 0.01 -0.30 -0.30 1.57 9.65 -0.31 -0.66 114.38 124.05 1wc5 h ARG 1080Ca 0.20 0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 1wc5 h ARG 1080Cb 0.30 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1wc5 h ARG 1080CO -0.41 -0.20 0.04 0.00 2.80 0.00 0.00 179.97 182.20 1wc5 h ARG 1081N -0.31 0.49 -0.55 0.20 2.47 0.23 -2.40 114.38 114.52 1wc5 h ARG 1081Ca 0.14 -0.13 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1wc5 h ARG 1081Cb 0.58 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 1wc5 h ARG 1081CO -0.59 0.60 0.33 0.00 0.56 0.00 0.00 179.97 180.87 1wc5 h ALA 1082N 0.87 0.70 -0.41 0.04 0.00 -0.01 -0.05 119.26 120.40 1wc5 h ALA 1082Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1wc5 h ALA 1082Cb 0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wc5 h ALA 1082CO 0.01 0.06 -0.33 0.82 0.00 0.00 0.00 179.25 179.81 1wc5 h ILE 1083N 0.66 1.27 -0.88 0.00 2.04 -1.14 -1.10 117.51 118.36 1wc5 h ILE 1083Ca 0.22 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.62 1wc5 h ILE 1083Cb 0.01 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1wc5 h ILE 1083CO -0.09 0.50 0.56 0.00 0.00 0.00 0.00 178.15 179.13 1wc5 h ALA 1084N 0.84 1.17 0.45 1.87 0.00 -1.09 -0.56 119.26 121.93 1wc5 h ALA 1084Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wc5 h ALA 1084Cb 0.91 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1wc5 h ALA 1084CO 0.08 0.38 -0.34 1.15 0.00 0.00 0.00 179.25 180.53 1wc5 h THR 1085N 1.07 0.29 -0.73 0.00 2.02 -0.47 -0.80 112.91 114.30 1wc5 h THR 1085Ca 0.36 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.64 1wc5 h THR 1085Cb 0.05 0.29 -0.08 0.00 -1.74 0.00 0.00 68.15 66.68 1wc5 h THR 1085CO -0.13 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.11 1wc5 h ALA 1086N -0.35 1.01 -0.70 6.16 0.00 -0.68 -0.68 119.26 124.01 1wc5 h ALA 1086Ca -0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1wc5 h ALA 1086Cb 0.67 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1wc5 h ALA 1086CO 0.00 -0.06 0.24 0.00 0.00 0.00 0.00 179.25 179.43 1wc5 h ARG 1087N 0.59 1.07 0.00 0.00 3.08 -0.89 -1.76 114.38 116.47 1wc5 h ARG 1087Ca 0.36 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1wc5 h ARG 1087Cb 0.41 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 1wc5 h ARG 1087CO -0.29 0.91 -0.16 0.37 -1.07 0.00 0.00 179.97 179.73 1wc5 h GLN 1088N 1.01 0.00 -0.03 0.04 4.15 -0.40 -2.47 115.11 117.41 1wc5 h GLN 1088Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 1wc5 h GLN 1088Cb 0.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1wc5 h GLN 1088CO -0.01 0.16 -0.03 0.52 -1.93 0.00 0.00 178.83 177.54 1wc5 h MET 1089N 0.00 0.08 -0.89 1.69 2.86 -0.30 -0.03 114.93 118.34 1wc5 h MET 1089Ca -0.00 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1wc5 h MET 1089Cb 0.56 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.17 1wc5 h MET 1089CO 0.02 0.53 0.59 -0.07 1.06 0.00 0.00 176.91 179.04 1wc5 h LEU 1090N -0.36 1.00 -0.82 1.22 3.38 -1.21 0.85 115.31 119.36 1wc5 h LEU 1090Ca 0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1wc5 h LEU 1090Cb 0.51 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1wc5 h LEU 1090CO 0.01 0.72 -0.22 0.58 0.09 0.00 0.00 178.44 179.61 1wc5 h VAL 1091N 1.18 1.27 0.00 1.22 2.07 -1.41 -2.20 116.25 118.38 1wc5 h VAL 1091Ca 0.33 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 1wc5 h VAL 1091Cb -0.10 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1wc5 h VAL 1091CO -0.08 0.42 -0.36 0.00 0.02 0.00 0.00 177.57 177.56 1wc5 h ALA 1092N 1.20 1.29 -0.02 1.67 0.00 -0.05 -2.75 119.26 120.60 1wc5 h ALA 1092Ca 0.08 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1wc5 h ALA 1092Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1wc5 h ALA 1092CO 0.05 0.45 -0.71 1.25 0.00 0.00 0.00 179.25 180.29 1wc5 h LEU 1093N 0.00 0.16 -0.06 0.00 5.85 -0.29 -2.14 115.31 118.83 1wc5 h LEU 1093Ca -0.00 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1wc5 h LEU 1093Cb 0.69 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1wc5 h LEU 1093CO 0.05 0.81 0.00 -0.33 -0.34 0.00 0.00 178.44 178.63 1wc5 h GLU 1094N 0.09 0.03 -0.27 1.25 5.08 -1.11 -0.47 114.58 119.19 1wc5 h GLU 1094Ca -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1wc5 h GLU 1094Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1wc5 h GLU 1094CO 0.10 0.02 0.12 -0.22 -1.00 0.00 0.00 179.01 178.03 1wc5 h LYS 1095N 0.03 0.39 -0.47 2.33 3.64 -1.53 -2.14 116.57 118.81 1wc5 h LYS 1095Ca 0.03 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1wc5 h LYS 1095Cb 0.03 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1wc5 h LYS 1095CO -0.05 0.39 0.21 -0.07 -2.27 0.00 0.00 179.45 177.66 1wc5 h LEU 1096N 0.29 0.28 -1.43 5.20 3.38 -1.18 -1.28 115.31 120.58 1wc5 h LEU 1096Ca 0.09 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wc5 h LEU 1096Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1wc5 h LEU 1096CO -0.01 0.20 0.40 0.78 0.09 0.00 0.00 178.44 179.90 1wc5 h ASN 1097N 0.42 0.67 0.84 -0.43 2.35 -0.93 -1.57 115.58 116.93 1wc5 h ASN 1097Ca 0.21 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1wc5 h ASN 1097Cb 0.15 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1wc5 h ASN 1097CO -0.17 0.48 -0.43 1.56 -1.65 0.00 0.00 177.43 177.22 1wc5 h GLN 1098N 0.78 -1.12 -0.26 0.81 4.20 -0.56 0.20 115.11 119.16 1wc5 h GLN 1098Ca 0.22 0.08 0.05 0.00 0.06 0.00 0.00 58.65 59.06 1wc5 h GLN 1098Cb -0.05 0.25 -0.08 0.00 0.30 0.00 0.00 27.48 27.90 1wc5 h GLN 1098CO -0.05 -0.74 -0.44 0.78 -0.67 0.00 0.00 178.83 177.70 1wc5 h GLY 1099N -1.16 -0.69 0.68 3.46 0.00 -1.17 0.16 103.07 104.34 1wc5 h GLY 1099Ca -0.12 0.55 0.11 0.00 0.00 0.00 0.00 47.33 47.88 1wc5 h GLY 1099CO 0.18 -0.20 0.56 1.49 0.00 0.00 0.00 176.54 178.57 1wc5 h TRP 1100N -0.43 0.87 0.31 5.60 6.55 -1.24 -2.82 115.95 124.78 1wc5 h TRP 1100Ca 0.10 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.95 1wc5 h TRP 1100Cb 0.61 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1wc5 h TRP 1100CO -0.56 0.37 -0.15 0.37 -1.05 0.00 0.00 178.44 177.42 1wc5 h GLN 1101N 0.78 -0.40 -2.60 0.49 5.75 0.95 0.35 115.11 120.43 1wc5 h GLN 1101Ca 0.41 0.03 -0.24 0.00 -0.15 0.00 0.00 58.65 58.70 1wc5 h GLN 1101Cb 0.53 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1wc5 h GLN 1101CO -0.18 -0.27 0.86 0.39 -2.65 0.00 0.00 178.83 176.98 1wc5 n GLU 1102N -3.44 1.81 0.00 1.69 1.02 0.39 -2.10 120.64 120.01 1wc5 n GLU 1102Ca -0.05 -1.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.06 1wc5 n GLU 1102Cb 0.16 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 1wc5 n GLU 1102CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wc5 n ARG 1103N 3.06 0.00 0.00 3.49 0.63 -1.08 -4.87 116.66 117.89 1wc5 n ARG 1103Ca 0.39 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1wc5 n ARG 1103Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 1wc5 n ARG 1103CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wc5 n GLY 1104N 0.00 0.41 0.19 5.14 0.00 -0.87 -4.99 105.19 105.08 1wc5 n GLY 1104Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1wc5 n GLY 1104CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wc5 h LEU 1105N 0.00 0.87 -8.61 0.99 3.38 -1.18 -3.47 115.31 107.29 1wc5 h LEU 1105Ca 0.00 -0.72 -0.34 0.00 0.09 0.00 0.00 57.88 56.91 1wc5 h LEU 1105Cb 0.00 -0.27 -0.16 0.00 0.09 0.00 0.00 40.66 40.32 1wc5 h LEU 1105CO 0.00 1.52 -0.72 0.68 0.09 0.00 0.00 178.44 180.01 1wc5 s VAL 1106N -3.24 1.16 0.00 1.22 -7.23 -1.14 -4.92 120.40 106.25 1wc5 s VAL 1106Ca -0.09 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1wc5 s VAL 1106Cb 0.07 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.30 1wc5 s VAL 1106CO 0.92 -0.66 0.00 0.61 -0.31 0.00 0.00 175.10 175.66 1wc5 n GLY 1107N 0.06 1.17 2.03 2.32 0.00 -1.26 -4.35 105.19 105.15 1wc5 n GLY 1107Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wc5 n GLY 1107CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wc5 n ARG 1108N -0.02 0.00 0.00 1.61 5.12 -1.26 -5.03 116.66 117.08 1wc5 n ARG 1108Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1wc5 n ARG 1108Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1wc5 n ARG 1108CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1wc5 n VAL 1111N -3.09 0.00 -1.64 1.55 0.31 -1.26 -5.16 118.33 109.04 1wc5 n VAL 1111Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1wc5 n VAL 1111Cb 0.00 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.99 1wc5 n VAL 1111CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wc5 s PRO 1112N 0.00 2.64 0.46 5.55 0.04 -1.26 -4.62 135.00 137.80 1wc5 s PRO 1112Ca 0.00 1.39 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1wc5 s PRO 1112Cb 0.00 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1wc5 s PRO 1112CO 0.00 -1.38 1.05 -0.35 0.04 0.00 0.00 177.00 176.36 1wc5 n PRO 1113N -2.64 1.37 -2.19 0.56 -0.04 -1.26 -4.72 135.00 126.08 1wc5 n PRO 1113Ca 0.10 0.50 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 1wc5 n PRO 1113Cb 0.52 -2.14 0.01 0.00 -0.04 0.00 0.00 33.50 31.85 1wc5 n PRO 1113CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1wc5 s VAL 1114N -1.31 2.99 0.08 0.52 1.01 -1.26 -5.04 120.40 117.39 1wc5 s VAL 1114Ca 0.65 0.66 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 1wc5 s VAL 1114Cb -0.51 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.59 1wc5 s VAL 1114CO 0.55 -0.09 0.30 -0.13 0.00 0.00 0.00 175.10 175.73 1wc5 s ARG 1115N -3.11 0.90 0.18 2.72 0.52 -1.26 -4.98 118.95 113.92 1wc5 s ARG 1115Ca 0.71 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 55.22 1wc5 s ARG 1115Cb -0.27 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 1wc5 s ARG 1115CO 0.31 -0.31 0.08 -0.59 0.02 0.00 0.00 175.30 174.81 1wc5 s PHE 1116N -3.33 1.13 0.08 -0.53 -0.12 -1.26 0.88 117.98 114.83 1wc5 s PHE 1116Ca 0.00 -1.24 0.08 0.00 -0.05 0.00 0.00 56.93 55.72 1wc5 s PHE 1116Cb 0.02 -0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 1wc5 s PHE 1116CO -0.08 -0.48 -0.16 1.03 -0.05 0.00 0.00 175.22 175.47 1wc5 s ARG 1117N -4.06 1.98 -0.04 1.99 0.52 0.33 0.54 118.95 120.21 1wc5 s ARG 1117Ca 0.31 -1.06 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1wc5 s ARG 1117Cb 0.07 -2.19 0.02 0.00 0.52 0.00 0.00 34.95 33.37 1wc5 s ARG 1117CO 0.07 0.51 -0.05 0.00 0.02 0.00 0.00 175.30 175.85 1wc5 s GLY 1119N 0.74 1.05 -0.04 0.00 0.00 0.45 -0.89 107.32 108.62 1wc5 s GLY 1119Ca -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1wc5 s GLY 1119CO 0.00 -0.56 -0.03 -0.42 0.00 0.00 0.00 173.10 172.09 1wc5 s ILE 1120N -0.19 0.46 0.07 0.90 1.01 -0.31 -1.53 121.20 121.60 1wc5 s ILE 1120Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1wc5 s ILE 1120Cb -0.11 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1wc5 s ILE 1120CO 0.02 0.21 -0.06 -2.28 0.00 0.00 0.00 174.94 172.83 1wc5 s HIS 1121N 0.95 0.68 -0.03 3.97 2.46 -0.86 -2.44 115.29 120.02 1wc5 s HIS 1121Ca -0.11 -0.82 0.03 0.00 0.47 0.00 0.00 55.06 54.64 1wc5 s HIS 1121Cb -0.14 -0.42 -0.00 0.00 -0.13 0.00 0.00 32.58 31.88 1wc5 s HIS 1121CO -0.00 -0.20 -0.13 -1.14 -2.47 0.00 0.00 174.74 170.80 1wc5 s GLN 1122N -3.11 1.39 0.00 2.88 0.74 -1.26 -0.66 119.66 119.64 1wc5 s GLN 1122Ca 0.03 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 54.98 1wc5 s GLN 1122Cb 0.01 -1.24 0.00 0.00 1.10 0.00 0.00 33.01 32.88 1wc5 s GLN 1122CO -0.05 0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.29 1wc5 n GLY 1123N 3.21 -0.07 3.77 2.59 0.00 -0.01 -4.84 105.19 109.84 1wc5 n GLY 1123Ca -0.18 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1wc5 n GLY 1123CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wc5 s MET 1124N -2.00 3.92 -0.09 1.61 -1.94 -1.26 -1.71 119.30 117.82 1wc5 s MET 1124Ca 0.00 2.03 -0.30 0.00 -1.71 0.00 0.00 55.69 55.71 1wc5 s MET 1124Cb 0.00 -2.67 0.07 0.00 2.01 0.00 0.00 34.83 34.25 1wc5 s MET 1124CO 0.00 -0.49 0.71 0.00 -0.01 0.00 0.00 175.02 175.22 1wc5 s ALA 1125N -1.34 -1.78 -0.35 3.03 0.00 -0.94 -4.35 121.76 116.03 1wc5 s ALA 1125Ca 0.59 1.45 -0.26 0.00 0.00 0.00 0.00 51.96 53.73 1wc5 s ALA 1125Cb -0.35 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1wc5 s ALA 1125CO 0.44 -0.36 0.95 0.08 0.00 0.00 0.00 175.76 176.87 1wc5 s VAL 1126N -0.93 4.58 -0.11 0.00 1.01 -0.27 -1.41 120.40 123.27 1wc5 s VAL 1126Ca -0.09 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 1wc5 s VAL 1126Cb -0.01 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1wc5 s VAL 1126CO 0.08 -0.50 -0.04 -0.69 0.00 0.00 0.00 175.10 173.95 1wc5 s VAL 1127N 3.47 3.96 -5.00 2.92 1.01 -0.36 -1.19 120.40 125.22 1wc5 s VAL 1127Ca 0.39 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1wc5 s VAL 1127Cb -0.12 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1wc5 s VAL 1127CO 0.17 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.44 1wc5 n GLY 1128N 2.74 0.36 3.63 4.51 0.00 0.04 -2.29 105.19 114.17 1wc5 n GLY 1128Ca -0.18 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1wc5 n GLY 1128CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wc5 s LEU 1129N 0.00 3.93 0.15 0.99 1.43 0.78 -0.55 118.68 125.41 1wc5 s LEU 1129Ca 0.00 1.32 0.11 0.00 -1.03 0.00 0.00 54.13 54.53 1wc5 s LEU 1129Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1wc5 s LEU 1129CO 0.00 -1.05 -0.26 -0.36 0.23 0.00 0.00 176.35 174.91 1wc5 s PHE 1130N 4.33 2.28 0.00 0.29 0.40 -0.14 -4.54 117.98 120.59 1wc5 s PHE 1130Ca 0.58 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.53 1wc5 s PHE 1130Cb -0.18 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1wc5 s PHE 1130CO 0.22 0.38 0.00 0.41 0.70 0.00 0.00 175.22 176.93 1wc5 n GLY 1131N 0.73 1.09 3.77 4.36 0.00 -1.26 -1.27 105.19 112.61 1wc5 n GLY 1131Ca -0.16 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.24 1wc5 n GLY 1131CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wc5 s SER 1132N 0.00 6.31 -1.14 1.61 1.04 -0.59 -4.85 113.70 116.08 1wc5 s SER 1132Ca 0.00 2.23 -0.25 0.00 0.48 0.00 0.00 55.95 58.41 1wc5 s SER 1132Cb 0.00 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.36 1wc5 s SER 1132CO 0.00 -0.81 2.02 -1.10 0.98 0.00 0.00 173.24 174.33 1wc5 s GLN 1133N -2.67 1.81 0.00 4.02 -0.21 -1.26 -1.79 119.66 119.56 1wc5 s GLN 1133Ca 0.62 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 55.19 1wc5 s GLN 1133Cb -0.27 -5.11 0.00 0.00 1.00 0.00 0.00 33.01 28.63 1wc5 s GLN 1133CO 0.32 -4.79 0.00 -0.85 -2.12 0.00 0.00 175.29 167.86 1wc5 n GLU 1134N 8.21 0.00 -3.58 2.91 0.28 -1.26 -5.07 120.64 122.14 1wc5 n GLU 1134Ca 0.43 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 57.02 1wc5 n GLU 1134Cb 0.47 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.23 1wc5 n GLU 1134CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1wc5 s ARG 1135N 0.00 2.86 -0.25 3.44 6.06 -0.74 -5.05 118.95 125.27 1wc5 s ARG 1135Ca 0.00 -1.06 -0.26 0.00 -2.50 0.00 0.00 55.73 51.91 1wc5 s ARG 1135Cb 0.00 -3.77 0.08 0.00 0.06 0.00 0.00 34.95 31.32 1wc5 s ARG 1135CO 0.00 -0.70 0.75 -1.54 -2.50 0.00 0.00 175.30 171.30 1wc5 s SER 1136N 1.57 -0.71 0.23 -2.12 1.04 -1.25 -1.54 113.70 110.91 1wc5 s SER 1136Ca 0.02 1.32 0.09 0.00 0.48 0.00 0.00 55.95 57.86 1wc5 s SER 1136Cb -0.19 1.32 -0.05 0.00 0.10 0.00 0.00 66.02 67.20 1wc5 s SER 1136CO 0.07 -0.28 -0.16 -1.81 0.98 0.00 0.00 173.24 172.05 1wc5 s ASP 1137N 0.20 2.85 -0.05 7.02 1.01 -0.40 -4.86 116.67 122.44 1wc5 s ASP 1137Ca -0.01 -1.02 -0.30 0.00 0.71 0.00 0.00 52.55 51.93 1wc5 s ASP 1137Cb -0.04 -0.18 -0.03 0.00 1.01 0.00 0.00 42.92 43.68 1wc5 s ASP 1137CO 0.01 -0.12 1.07 0.12 0.21 0.00 0.00 175.17 176.47 1wc5 s PHE 1138N -2.85 3.46 0.34 4.23 5.36 -1.26 -0.97 117.98 126.29 1wc5 s PHE 1138Ca 0.25 1.49 -0.17 0.00 -0.96 0.00 0.00 56.93 57.54 1wc5 s PHE 1138Cb -0.02 -3.26 0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1wc5 s PHE 1138CO 0.09 -0.58 0.86 -0.08 -1.46 0.00 0.00 175.22 174.05 1wc5 s THR 1139N 1.70 0.00 0.09 0.12 -1.32 0.29 -4.90 115.64 111.63 1wc5 s THR 1139Ca 0.52 -0.89 0.10 0.00 -1.21 0.00 0.00 61.69 60.21 1wc5 s THR 1139Cb -0.22 -3.00 -0.04 0.00 -1.51 0.00 0.00 72.50 67.74 1wc5 s THR 1139CO 0.23 0.00 -0.26 0.00 -2.21 0.00 0.00 174.62 172.38 1wc5 s ALA 1140N -2.09 2.35 0.00 11.08 0.00 -1.26 -0.78 121.76 131.06 1wc5 s ALA 1140Ca 0.18 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.80 1wc5 s ALA 1140Cb -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1wc5 s ALA 1140CO 0.10 0.54 -0.10 0.42 0.00 0.00 0.00 175.76 176.73 1wc5 s ILE 1141N -0.95 0.78 0.00 0.00 -1.09 -0.33 -4.94 121.20 114.66 1wc5 s ILE 1141Ca 0.13 -0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1wc5 s ILE 1141Cb -0.10 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 1wc5 s ILE 1141CO 0.04 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1wc5 n GLY 1142N 2.66 3.40 0.32 6.18 0.00 -1.26 -1.12 105.19 115.38 1wc5 n GLY 1142Ca -0.14 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.32 1wc5 n GLY 1142CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wc5 h PRO 1143N 0.00 0.00 -0.17 1.61 0.13 -2.00 -1.93 132.00 129.63 1wc5 h PRO 1143Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1wc5 h PRO 1143Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1wc5 h PRO 1143CO 0.00 0.00 -0.44 0.77 -0.23 0.00 0.00 178.00 178.10 1wc5 h SER 1144N 0.00 0.45 -0.08 1.44 0.02 -1.91 -2.29 113.55 111.19 1wc5 h SER 1144Ca 0.01 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.52 1wc5 h SER 1144Cb 0.08 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.51 1wc5 h SER 1144CO -0.00 0.83 -0.86 0.58 -1.14 0.00 0.00 176.83 176.24 1wc5 h VAL 1145N 0.34 1.28 -0.69 2.27 2.07 -1.66 -2.95 116.25 116.91 1wc5 h VAL 1145Ca 0.03 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 1wc5 h VAL 1145Cb 0.91 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1wc5 h VAL 1145CO 0.08 0.65 0.41 0.78 0.02 0.00 0.00 177.57 179.51 1wc5 h ASN 1146N 0.49 0.84 -0.44 0.57 2.35 -1.47 -1.90 115.58 116.02 1wc5 h ASN 1146Ca -0.08 -0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.66 1wc5 h ASN 1146Cb 1.50 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 39.61 1wc5 h ASN 1146CO 0.17 0.66 0.16 0.40 -1.65 0.00 0.00 177.43 177.18 1wc5 h ILE 1147N 0.95 0.88 -0.35 2.81 2.04 -1.41 0.63 117.51 123.06 1wc5 h ILE 1147Ca 0.25 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1wc5 h ILE 1147Cb -0.02 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1wc5 h ILE 1147CO -0.05 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.33 1wc5 h ALA 1148N 1.28 0.42 -0.52 1.87 0.00 -1.29 0.12 119.26 121.14 1wc5 h ALA 1148Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1wc5 h ALA 1148Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1wc5 h ALA 1148CO -0.20 -0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.17 1wc5 h ALA 1149N 1.19 0.66 0.00 0.00 0.00 -0.53 -2.29 119.26 118.29 1wc5 h ALA 1149Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1wc5 h ALA 1149Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wc5 h ALA 1149CO -0.11 0.05 -0.25 0.00 0.00 0.00 0.00 179.25 178.94 1wc5 h ARG 1150N 0.65 0.00 -0.35 0.00 2.47 -0.50 -2.55 114.38 114.10 1wc5 h ARG 1150Ca 0.20 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.79 1wc5 h ARG 1150Cb -0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1wc5 h ARG 1150CO -0.07 0.25 -0.30 -0.07 0.56 0.00 0.00 179.97 180.34 1wc5 h LEU 1151N 0.00 0.78 -0.25 3.04 3.38 -0.38 -1.52 115.31 120.36 1wc5 h LEU 1151Ca -0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1wc5 h LEU 1151Cb 0.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wc5 h LEU 1151CO 0.03 1.03 -0.03 -0.61 0.09 0.00 0.00 178.44 178.95 1wc5 h GLN 1152N 0.64 0.46 0.00 1.13 -0.00 -1.19 -2.60 115.11 113.55 1wc5 h GLN 1152Ca 0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 58.65 58.56 1wc5 h GLN 1152Cb 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.27 1wc5 h GLN 1152CO 0.07 0.66 0.00 1.05 0.00 0.00 0.00 178.83 180.61 1wc5 h GLU 1153N 0.22 0.00 0.00 1.69 4.11 -1.36 -3.12 114.58 116.11 1wc5 h GLU 1153Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1wc5 h GLU 1153Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wc5 h GLU 1153CO 0.02 0.00 -0.73 0.00 0.07 0.00 0.00 179.01 178.37 1wc5 h ALA 1154N 2.14 0.61 -2.29 1.06 0.00 -1.11 -3.47 119.26 116.20 1wc5 h ALA 1154Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1wc5 h ALA 1154Cb 0.64 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.47 1wc5 h ALA 1154CO 0.00 0.00 0.35 -0.08 0.00 0.00 0.00 179.25 179.52 1wc5 s THR 1155N -3.29 4.67 0.71 0.00 -1.32 -1.00 -5.06 115.64 110.36 1wc5 s THR 1155Ca 0.03 0.91 -0.11 0.00 -1.21 0.00 0.00 61.69 61.31 1wc5 s THR 1155Cb 0.10 -3.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.30 1wc5 s THR 1155CO 0.75 -0.90 1.06 0.00 -2.21 0.00 0.00 174.62 173.32 1wc5 s ALA 1156N -2.87 2.63 0.40 11.08 0.00 -1.26 -4.96 121.76 126.77 1wc5 s ALA 1156Ca 0.55 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1wc5 s ALA 1156Cb -0.10 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 1wc5 s ALA 1156CO 0.43 -1.29 1.24 -0.35 0.00 0.00 0.00 175.76 175.79 1wc5 n PRO 1157N -3.17 1.90 -2.76 0.00 -0.04 -1.26 -2.76 135.00 126.89 1wc5 n PRO 1157Ca 0.08 0.67 -0.21 0.00 -0.04 0.00 0.00 63.50 64.00 1wc5 n PRO 1157Cb 0.54 -2.32 0.01 0.00 -0.04 0.00 0.00 33.50 31.69 1wc5 n PRO 1157CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wc5 n ASN 1158N 0.39 -5.58 -4.39 3.54 5.03 0.19 -4.96 115.26 109.48 1wc5 n ASN 1158Ca 0.07 -0.14 -0.20 0.00 0.87 0.00 0.00 54.58 55.17 1wc5 n ASN 1158Cb 0.38 -4.59 -0.10 0.00 -1.02 0.00 0.00 39.78 34.46 1wc5 n ASN 1158CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1wc5 s SER 1159N -2.39 2.63 -0.19 6.41 1.04 -1.11 -5.00 113.70 115.08 1wc5 s SER 1159Ca 0.17 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.45 1wc5 s SER 1159Cb -0.08 -0.14 -0.00 0.00 0.10 0.00 0.00 66.02 65.90 1wc5 s SER 1159CO 0.21 -0.30 -0.10 -0.63 0.98 0.00 0.00 173.24 173.40 1wc5 s ILE 1160N -3.03 2.99 -0.08 -1.02 1.01 -1.26 -2.06 121.20 117.75 1wc5 s ILE 1160Ca 0.27 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1wc5 s ILE 1160Cb 0.02 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1wc5 s ILE 1160CO 0.10 0.47 -0.24 -0.32 0.00 0.00 0.00 174.94 174.95 1wc5 s MET 1161N 1.16 2.81 0.27 2.79 1.75 -0.07 -0.24 119.30 127.77 1wc5 s MET 1161Ca 0.01 -0.88 0.03 0.00 -1.25 0.00 0.00 55.69 53.60 1wc5 s MET 1161Cb -0.14 -2.25 -0.06 0.00 2.84 0.00 0.00 34.83 35.23 1wc5 s MET 1161CO -0.03 0.29 0.06 0.14 -0.65 0.00 0.00 175.02 174.82 1wc5 s VAL 1162N 0.08 0.90 0.76 10.11 -7.23 -0.15 -1.16 120.40 123.71 1wc5 s VAL 1162Ca -0.11 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.03 1wc5 s VAL 1162Cb -0.16 -2.62 0.14 0.00 0.56 0.00 0.00 36.38 34.31 1wc5 s VAL 1162CO 0.06 -0.09 1.04 -0.94 -0.31 0.00 0.00 175.10 174.87 1wc5 s SER 1163N -3.37 4.15 0.24 4.85 1.04 -1.02 -0.58 113.70 119.00 1wc5 s SER 1163Ca 0.35 -0.31 -0.04 0.00 0.48 0.00 0.00 55.95 56.44 1wc5 s SER 1163Cb 0.08 -0.01 0.26 0.00 0.10 0.00 0.00 66.02 66.44 1wc5 s SER 1163CO 0.13 -2.01 1.71 0.00 0.98 0.00 0.00 173.24 174.06 1wc5 h ALA 1164N -0.69 1.01 -0.61 5.32 0.00 -1.94 -0.94 119.26 121.41 1wc5 h ALA 1164Ca -0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1wc5 h ALA 1164Cb 1.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1wc5 h ALA 1164CO 0.39 0.60 0.27 1.98 0.00 0.00 0.00 179.25 182.49 1wc5 h MET 1165N 0.78 0.88 0.00 0.00 1.85 -1.93 -2.60 114.93 113.91 1wc5 h MET 1165Ca 0.14 -0.12 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1wc5 h MET 1165Cb 0.52 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.39 1wc5 h MET 1165CO 0.03 0.70 -0.00 0.28 -0.40 0.00 0.00 176.91 177.52 1wc5 h VAL 1166N 0.87 1.66 -0.71 -5.77 2.07 -1.79 -3.33 116.25 109.24 1wc5 h VAL 1166Ca 0.21 -1.96 0.18 0.00 0.82 0.00 0.00 66.70 65.96 1wc5 h VAL 1166Cb 0.13 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 1wc5 h VAL 1166CO -0.02 0.51 0.50 0.00 0.02 0.00 0.00 177.57 178.57 1wc5 h ALA 1167N 0.16 2.45 -0.07 1.67 0.00 -1.13 -1.76 119.26 120.58 1wc5 h ALA 1167Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1wc5 h ALA 1167Cb 0.83 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wc5 h ALA 1167CO 0.00 -0.66 0.21 -0.56 0.00 0.00 0.00 179.25 178.24 1wc5 h GLN 1168N 0.15 0.00 -0.11 0.00 3.07 -1.57 0.40 115.11 117.05 1wc5 h GLN 1168Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 1wc5 h GLN 1168Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1wc5 h GLN 1168CO -0.05 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.53 1wc5 n TYR 1169N -3.24 0.11 -3.82 0.06 4.02 -0.66 -4.92 117.16 108.70 1wc5 n TYR 1169Ca -0.01 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 1wc5 n TYR 1169Cb 0.29 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 1wc5 n TYR 1169CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wc5 s VAL 1170N -1.89 5.40 0.09 -0.72 1.01 0.14 -4.91 120.40 119.52 1wc5 s VAL 1170Ca 0.32 0.18 -0.31 0.00 0.00 0.00 0.00 61.98 62.17 1wc5 s VAL 1170Cb 0.21 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1wc5 s VAL 1170CO 0.31 0.49 1.74 -2.84 0.00 0.00 0.00 175.10 174.80 1wc5 s PRO 1171N -1.41 4.17 0.30 2.72 0.02 -1.26 -4.88 135.00 134.65 1wc5 s PRO 1171Ca 0.21 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.72 1wc5 s PRO 1171Cb -0.13 -3.61 0.75 0.00 0.02 0.00 0.00 34.50 31.54 1wc5 s PRO 1171CO 0.11 -0.79 1.60 0.22 -0.33 0.00 0.00 177.00 177.81 1wc5 h ASP 1172N 8.49 -0.26 0.21 2.53 3.58 -1.96 0.32 116.42 129.32 1wc5 h ASP 1172Ca -0.44 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1wc5 h ASP 1172Cb 1.21 0.39 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1wc5 h ASP 1172CO 0.94 -0.28 0.00 -1.84 -2.88 0.00 0.00 179.24 175.18 1wc5 n GLU 1173N -5.38 0.10 0.00 0.28 0.00 -1.26 -2.11 120.64 112.28 1wc5 n GLU 1173Ca 0.23 0.23 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1wc5 n GLU 1173Cb 0.75 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.86 1wc5 n GLU 1173CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wc5 n GLU 1174N -1.33 2.00 -2.89 3.44 1.02 0.11 -4.83 120.64 118.16 1wc5 n GLU 1174Ca 0.04 -1.57 -0.42 0.00 -0.02 0.00 0.00 57.16 55.18 1wc5 n GLU 1174Cb 0.08 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.99 1wc5 n GLU 1174CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wc5 s ILE 1175N -2.09 4.67 0.01 -3.67 -1.09 -0.90 -0.31 121.20 117.82 1wc5 s ILE 1175Ca 0.28 1.03 0.07 0.00 -2.23 0.00 0.00 60.65 59.81 1wc5 s ILE 1175Cb 0.20 -4.26 -0.23 0.00 -1.58 0.00 0.00 42.46 36.58 1wc5 s ILE 1175CO 0.35 -0.48 0.87 0.40 -1.23 0.00 0.00 174.94 174.86 1wc5 h ILE 1176N 5.78 1.15 -2.76 2.92 2.04 -0.98 -3.47 117.51 122.19 1wc5 h ILE 1176Ca -0.24 -2.92 -0.13 0.00 1.00 0.00 0.00 64.86 62.58 1wc5 h ILE 1176Cb 1.09 2.61 -0.25 0.00 -0.74 0.00 0.00 36.82 39.53 1wc5 h ILE 1176CO 0.94 0.71 -0.29 -0.75 0.00 0.00 0.00 178.15 178.76 1wc5 s LYS 1177N -2.63 0.42 -0.22 2.37 2.20 -1.16 -4.94 119.74 115.78 1wc5 s LYS 1177Ca -0.05 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1wc5 s LYS 1177Cb 0.08 0.12 0.05 0.00 -1.51 0.00 0.00 37.83 36.57 1wc5 s LYS 1177CO 0.83 -0.10 -0.08 0.50 -0.36 0.00 0.00 175.35 176.14 1wc5 s ARG 1178N 0.67 1.88 -0.09 4.03 3.52 -1.26 0.20 118.95 127.91 1wc5 s ARG 1178Ca -0.04 -0.93 -0.18 0.00 -0.13 0.00 0.00 55.73 54.45 1wc5 s ARG 1178Cb -0.05 -2.51 0.04 0.00 -1.56 0.00 0.00 34.95 30.87 1wc5 s ARG 1178CO -0.05 -0.50 0.44 -2.00 -0.81 0.00 0.00 175.30 172.38 1wc5 s GLU 1179N 1.38 0.68 -0.11 5.12 2.12 -0.22 -4.98 118.70 122.69 1wc5 s GLU 1179Ca -0.04 0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.26 1wc5 s GLU 1179Cb -0.17 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1wc5 s GLU 1179CO -0.07 -0.16 0.95 -0.06 -0.54 0.00 0.00 175.26 175.38 1wc5 s PHE 1180N -0.62 3.50 0.10 5.30 0.08 -1.26 -0.55 117.98 124.53 1wc5 s PHE 1180Ca -0.07 1.51 0.04 0.00 0.12 0.00 0.00 56.93 58.53 1wc5 s PHE 1180Cb -0.03 -3.13 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 1wc5 s PHE 1180CO 0.04 -0.20 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.34 1wc5 s LEU 1181N 1.92 2.38 -0.16 -0.37 1.43 0.18 -4.85 118.68 119.21 1wc5 s LEU 1181Ca 0.46 -0.77 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 1wc5 s LEU 1181Cb -0.18 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.66 1wc5 s LEU 1181CO 0.17 -0.21 0.98 -0.70 0.23 0.00 0.00 176.35 176.82 1wc5 s GLU 1182N -2.57 4.34 -0.21 1.70 2.12 -1.26 0.18 118.70 123.00 1wc5 s GLU 1182Ca 0.04 1.30 -0.06 0.00 0.36 0.00 0.00 54.97 56.62 1wc5 s GLU 1182Cb -0.05 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 1wc5 s GLU 1182CO 0.01 -0.43 0.01 -0.51 -0.54 0.00 0.00 175.26 173.80 1wc5 s LEU 1183N 2.47 3.29 -0.24 2.70 1.43 -1.26 -4.97 118.68 122.10 1wc5 s LEU 1183Ca 0.45 -0.21 -0.39 0.00 -1.03 0.00 0.00 54.13 52.94 1wc5 s LEU 1183Cb -0.17 -1.85 -0.15 0.00 0.03 0.00 0.00 46.19 44.05 1wc5 s LEU 1183CO 0.13 0.04 1.73 1.17 0.23 0.00 0.00 176.35 179.65 1wc5 n LYS 1184N 4.42 1.26 0.00 1.70 0.00 -1.26 -1.10 118.16 123.17 1wc5 n LYS 1184Ca -0.17 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.60 1wc5 n LYS 1184Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 35.03 33.39 1wc5 n LYS 1184CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wc5 n GLY 1185N 4.11 1.44 3.41 3.14 0.00 -1.26 -4.96 105.19 111.07 1wc5 n GLY 1185Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1wc5 n GLY 1185CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wc5 s ILE 1186N -2.33 4.25 0.36 -0.61 -1.09 -0.26 -4.99 121.20 116.53 1wc5 s ILE 1186Ca 0.00 -0.42 0.04 0.00 -2.23 0.00 0.00 60.65 58.04 1wc5 s ILE 1186Cb 0.00 -3.10 0.24 0.00 -1.58 0.00 0.00 42.46 38.02 1wc5 s ILE 1186CO 0.00 0.18 1.99 0.44 -1.23 0.00 0.00 174.94 176.33 1wc5 h ASP 1187N 8.26 0.63 -2.94 3.58 3.32 -1.96 -3.40 116.42 123.91 1wc5 h ASP 1187Ca -0.35 -0.04 -0.63 0.00 0.02 0.00 0.00 57.03 56.04 1wc5 h ASP 1187Cb 1.15 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 1wc5 h ASP 1187CO 0.60 0.50 -0.34 -1.61 -1.72 0.00 0.00 179.24 176.66 1wc5 s GLU 1188N -5.52 3.82 0.52 3.56 8.01 -1.26 -5.05 118.70 122.78 1wc5 s GLU 1188Ca -0.09 0.12 -0.22 0.00 0.01 0.00 0.00 54.97 54.78 1wc5 s GLU 1188Cb 0.17 -3.26 -0.06 0.00 -4.31 0.00 0.00 34.13 26.67 1wc5 s GLU 1188CO 0.76 0.61 1.26 -2.30 0.01 0.00 0.00 175.26 175.60 1wc5 n PRO 1189N 2.32 1.61 -4.72 0.39 -0.02 -1.26 -4.68 135.00 128.64 1wc5 n PRO 1189Ca -0.16 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.59 1wc5 n PRO 1189Cb 0.53 -2.45 -0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1wc5 n PRO 1189CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wc5 s VAL 1190N -1.30 3.26 -0.28 -1.45 1.01 0.13 -4.82 120.40 116.95 1wc5 s VAL 1190Ca 0.69 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1wc5 s VAL 1190Cb -0.44 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1wc5 s VAL 1190CO 0.51 0.51 1.50 -0.32 0.00 0.00 0.00 175.10 177.31 1wc5 s MET 1191N -1.00 3.78 0.21 2.72 1.75 -1.26 -0.64 119.30 124.86 1wc5 s MET 1191Ca 0.13 1.43 0.10 0.00 -1.25 0.00 0.00 55.69 56.10 1wc5 s MET 1191Cb -0.11 -3.99 -0.04 0.00 2.84 0.00 0.00 34.83 33.53 1wc5 s MET 1191CO 0.03 -1.31 -0.15 0.95 -0.65 0.00 0.00 175.02 173.90 1wc5 s THR 1192N 5.07 2.83 -0.10 10.11 -4.23 0.29 -3.60 115.64 126.01 1wc5 s THR 1192Ca 0.66 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1wc5 s THR 1192Cb -0.21 -2.42 0.04 0.00 1.34 0.00 0.00 72.50 71.25 1wc5 s THR 1192CO 0.28 -0.20 0.05 0.00 -0.54 0.00 0.00 174.62 174.21 1wc5 s VAL 1194N 2.06 4.54 -0.09 0.00 1.01 0.13 -0.98 120.40 127.08 1wc5 s VAL 1194Ca 0.04 1.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.95 1wc5 s VAL 1194Cb -0.14 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1wc5 s VAL 1194CO -0.06 0.24 0.07 -0.63 0.00 0.00 0.00 175.10 174.72 1wc5 s ILE 1195N 0.46 4.86 0.06 2.22 -1.09 0.66 -0.30 121.20 128.07 1wc5 s ILE 1195Ca 0.50 -0.07 -0.31 0.00 -2.23 0.00 0.00 60.65 58.55 1wc5 s ILE 1195Cb -0.24 -3.09 -0.10 0.00 -1.58 0.00 0.00 42.46 37.46 1wc5 s ILE 1195CO 0.30 0.59 1.93 -3.20 -1.23 0.00 0.00 174.94 173.32 1wc5 n ASN 1196N 1.99 4.10 0.25 3.58 4.05 0.57 -4.35 115.26 125.45 1wc5 n ASN 1196Ca -0.19 0.93 0.11 0.00 0.45 0.00 0.00 54.58 55.89 1wc5 n ASN 1196Cb 0.54 -1.53 0.63 0.00 1.23 0.00 0.00 39.78 40.66 1wc5 n ASN 1196CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1wc5 h PRO 1197N 9.85 0.00 0.00 1.20 0.13 -1.95 -3.41 132.00 137.82 1wc5 h PRO 1197Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wc5 h PRO 1197Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wc5 h PRO 1197CO 0.94 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.97 1wc5 n ASN 1198N -3.63 0.00 0.00 1.44 3.02 -1.26 -4.78 115.26 110.05 1wc5 n ASN 1198Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1wc5 n ASN 1198Cb 0.30 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 1wc5 n ASN 1198CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44